EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

vanillin hexylene glycol acetal
phenol, 2-methoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)-

Sponsors

CAS Number: 52514-66-6Picture of molecule3D/inchi
% from:70.00% to 75.00%
ECHA EINECS - REACH Pre-Reg:257-986-2
Nikkaji Web:J86.592C
XlogP3-AA:2.40 (est)
Molecular Weight:252.31020000
Formula:C14 H20 O4
NMR Predictor:Predict (works with chrome or firefox)
Also(can) Contains:hexylene glycol 22.00% to 27.00%
 vanillin 2.00% to 5.00%
Category:fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
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Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 70.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 358.00 to 359.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.000012 mm/Hg @ 25.00 °C. (est)
Flash Point: 222.00 °F. TCC ( 105.56 °C. )
logP (o/w): 2.523 (est)
Shelf Life: 48.00 month(s) or longer if stored properly.
Storage:store in cool, dry place in tightly sealed containers, protected from heat and light. store under nitrogen.
Storage:store under nitrogen.
Soluble in:
 alcohol
 water, slightly
 water, 185.1 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: vanilla
Odor Strength:medium
sweet creamy vanilla smoky
Odor Description:at 100.00 %. sweet creamy vanilla smoky
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
VANILLIN HEXYLENE GLYCOL ACETAL ≥70.0% (sum of isomers)
Odor Description:Sweet, creamy, rich vanilla odor with slightly smoky undertone
For use in vanilla, chocolate, and other fragrances and accords for richness and intense vanilla note; particularly useful in candle and body care fragrances.
 
Cosmetic Information:
None found
 
Suppliers:
Bedoukian Research
VANILLIN HEXYLENE GLYCOL ACETAL
≥70.0% (sum of isomers)
Odor: Sweet, creamy, rich vanilla odor with slightly smoky undertone
Use: For use in vanilla, chocolate, and other fragrances and accords for richness and intense vanilla note; particularly useful in candle and body care fragrances.
 
Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
Recommendation for vanillin hexylene glycol acetal usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Recommendation for vanillin hexylene glycol acetal flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):52514-66-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :103654
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
2-methoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)phenol
Chemidplus:0052514666
 
References:
 2-methoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)phenol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):103654
Pubchem (sid):135061003
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2911.00.5000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
bird of paradise fragrance
FR
acidic
acidic
cyclohexyl acetic acid
FL/FR
aldehydic
acetyl nonyryl
FL/FR
anisic
ortho-
acetanisole
FL/FR
para-
acetanisole
FL/FR
ambrette seed oil
FL/FR
para-
anisaldehyde
FL/FR
ortho-
anisaldehyde
FL/FR
methyl para-anisate
FL/FR
balsamic
siam
benzoin absolute
FL/FR
sumatra
benzoin absolute
FL/FR
benzoin absolute replacer
FL/FR
sumatra
benzoin gum
FL/FR
siam
benzoin resin
FL/FR
sumatra
benzoin resin
FL/FR
benzoin resin replacer
FR
sumatra
benzoin resinoid
FL/FR
siam
benzoin resinoid
FL/FR
benzophenone
FR
1-
benzoyl acetone
FL/FR
iso
butyl benzoate
FL/FR
cinnamyl alcohol
FL/FR
ethyl cinnamate
FL/FR
peru balsam absolute
FL/FR
peru balsam oil
FL/FR
peru balsam resinoid
FL/FR
berry
raspberry ketone methyl ether
FL/FR
buttery
acetoin
FL/FR
acetyl butyryl
FL/FR
acetyl isobutyryl
FL/FR
acetyl propionyl
FL/FR
butyl butyryl lactate
FL/FR
caramellic
2-oxo
butyric acid
FL/FR
levulinic acid
FL/FR
strawberry furanone acetate
FL/FR
cheesy
butyric acid
FL/FR
chocolate
chocolate specialty
FR
cocoa oleoresin
FL/FR
cocoa pentenal
FL/FR
vanillyl ethyl ether
FL/FR
coconut
alpha-
angelica lactone
FL/FR
coconut decanone methyl
FR
delta-
decalactone
FL/FR
delta-2-
dodecenolactone
FL/FR
delta-
nonalactone
FL/FR
gamma-
octalactone
FL/FR
delta-
undecalactone
FL/FR
coumarinic
coumane
FL/FR
phthalide
FL/FR
creamy
butyl lactate
FL/FR
gamma-
butyrolactone
FL/FR
creamy lactone
FL/FR
geranyl ethyl acetal
FR
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
para-
vanillic acid
FL/FR
para-
vanillyl alcohol
FL/FR
veratraldehyde
FL/FR
earthy
1-
nonen-3-ol
FL/FR
fatty
(Z)-
dairy lactone
FL/FR
ethyl undecylenate
FL/FR
4-
methyl octanoic acid
FL/FR
fermented
butyl laevo-lactate
FL/FR
floral
acetophenone
FL/FR
para-
anisaldehyde / methyl anthranilate schiff's base
FR
anisyl propanal / methyl anthranilate schiff's base
FR
coffee flower absolute
FR
para-
cresyl laurate
FL/FR
dimethyl alpha-ionone
FR
dimethyl anthranilate
FL/FR
geranyl phenyl acetate
FL/FR
heliotropin
FL/FR
(E)-beta-
ionone
FL/FR
alpha-
irone
FL/FR
para-
methyl acetophenone
FL/FR
ortho-
methyl acetophenone
FL/FR
beta-iso
methyl ionone
FL/FR
alpha-iso
methyl ionone (50% min.)
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
methyl ionyl acetate
FL/FR
orris rhizome resinoid (iris pallida)
FL/FR
iso
propyl phenyl acetate
FL/FR
rhodinol
FL/FR
rhodinyl phenyl acetate
FL/FR
(E)-2,5,9-
trimethyl-4,9-decadien-1-al
FR
fruity
acetoin acetate
FL/FR
acetyl methyl anthranilate
FL/FR
para-
anisyl propionate
FL/FR
cherry oxyacetate
FL/FR
gamma-
decalactone
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
farnesyl acetone
FL/FR
guaiacyl propionate
FL/FR
methyl (Z)-5-octenoate
FL/FR
octyl butyrate
FL/FR
peach pivalate
FR
tolualdehydes (mixed o,m,p)
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
vanilla carboxylate
FL/FR
green
iso
butyl benzyl carbinol
FL/FR
(Z)-4-
hepten-1-ol
FL/FR
(Z)-4-
heptenal
FL/FR
(Z)-4-
heptenal diethyl acetal
FL/FR
para-
methyl hydratropaldehyde
FL/FR
phenoxyethyl isobutyrate
FL/FR
minty
menthoxypropane diol
FL/FR
vanillin menthoxypropane diol acetal
FL/FR
mushroom
3-
octen-2-ol
FL/FR
musk
cyclohexadecanone
FR
ethylene brassylate
FL/FR
exaltone (Firmenich)
FR
dextro,laevo-
muscone
FL/FR
musk amberol
FR
musk indane
FR
musk tetralin
FR
omega-
pentadecalactone
FL/FR
musty
cocoa butenal
FL/FR
tetrahydrogeranyl acetone
FL/FR
naphthyl
2,4-
dimethyl benzaldehyde
FL/FR
para-
methyl anisole
FL/FR
beta-
naphthyl ethyl ether
FL/FR
nutty
nutty cyclohexenone
FL/FR
resorcinol
FR
2,3,5,6-
tetramethyl pyrazine
FL/FR
2,3,5-
trimethyl pyrazine
FL/FR
phenolic
ethyl vanillate
FL/FR
ortho-
guaiacol
FL/FR
powdery
para-
anisyl acetate
FL/FR
para-
anisyl alcohol
FL/FR
alpha-
methyl ionone
FL/FR
smoky
alpha-
ethoxy-ortho-cresol
FL/FR
spicy
para-
anisyl formate
FL/FR
dianthus ethone
FR
4-
ethyl guaiacol
FL/FR
(E)-para-
methoxycinnamaldehyde
FL/FR
para-
methoxycinnamaldehyde
FL/FR
4-
methyl guaiacol
FL/FR
spicy acetoacetate
FL/FR
zingerone
FL/FR
sweet
tonka bean absolute replacer
FR
vanilla bean absolute (vanilla spp.)
FL/FR
vanilla oleoresin bali
FL/FR
vanilla oleoresin bourbon
FL/FR
vanilla resinoid
FL/FR
vanilla tahitensis fruit absolute
FR
vanilla tahitensis fruit absolute CO2 extract
FR
vanilla tahitensis fruit extract
FL/FR
vanilla tahitensis fruit oil CO2 extract
FR
tobacco
methyl benzoxole
FL/FR
tonka
6-
amyl-alpha-pyrone
FL/FR
coumarin
FR
mint lactone
FL/FR
octahydrocoumarin
FL/FR
tropical
curcuma amada roxb. rhizome oil CO2 extract
FL/FR
vanilla
acetovanillone
FL/FR
benzoin
FL/FR
crème brulee fragrance
FR
ortho-
dimethyl hydroquinone
FL/FR
ethyl vanillin
FL/FR
ethyl vanillin acetate
FR
ethyl vanillin diethyl acetal
FR
ethyl vanillin hexylene glycol acetal
FR
ethyl vanillin isobutyrate
FL/FR
ethyl vanillin propylene glycol acetal
FL/FR
heliotropyl alcohol
FL/FR
methyl vanillate
FL/FR
propenyl guaethol
FL/FR
vanilla
FR
vanilla aromatica fruit extract
FL/FR
vanilla bean absolute (vanilla planifolia)
FL/FR
vanilla bean absolute CO2 extract (vanilla planifolia)
FL/FR
vanilla bean fragrance
FR
vanilla bean oil (vanilla planifolia)
FR
vanilla bean oil (vanilla tahitensis)
FL/FR
vanilla bean oil CO2 extract
FL/FR
vanilla bean tincture
FR
vanilla cresol
FR
vanilla extract
FL/FR
vanilla fragrance
FR
country
vanilla fragrance
FR
french
vanilla fragrance
FR
vanilla planifolia fruit extract
FL/FR
vanilla planifolia fruit infusion
FR
vanilla planifolia fruit water
FL/FR
vanilla specialty
FR
vanillin
FL/FR
vanillin 2,3-butylene glycol acetal
FL/FR
vanillin propylene glycol acetal
FL/FR
vanillyl acetate
FL/FR
vanillyl butyl ether
FL/FR
vanillyl isobutyrate
FL/FR
vanillylidene acetone
FL/FR
vegetable
methional
FL/FR
waxy
allyl nonanoate
FL/FR
ethyl palmitate
FL/FR
methyl laurate
FL/FR
2-
nonanol
FL/FR
octyl isobutyrate
FL/FR
delta-
tetradecalactone
FL/FR
undecanoic acid
FL/FR
woody
amber formate
FR
guaiacwood oil
FL/FR
guaiacyl acetate
FL/FR
4-
hydroxybenzaldehyde
FL/FR
(+)-alpha-
santalyl acetate
FL/FR
timber propanol
FR
vetiveryl acetate
FL/FR
woody epoxide
FR
For Flavor
No flavor group found for these
ambrette seed oil
FL/FR
para-
anisyl propionate
FL/FR
benzoin
FL/FR
1-
benzoyl acetone
FL/FR
coumane
FL/FR
ortho-
dimethyl hydroquinone
FL/FR
delta-2-
dodecenolactone
FL/FR
alpha-
ethoxy-ortho-cresol
FL/FR
farnesyl acetone
FL/FR
guaiacyl propionate
FL/FR
heliotropyl alcohol
FL/FR
menthoxypropane diol
FL/FR
(E)-para-
methoxycinnamaldehyde
FL/FR
beta-iso
methyl ionone
FL/FR
methyl para-anisate
FL/FR
methyl vanillate
FL/FR
(+)-alpha-
santalyl acetate
FL/FR
vanillin menthoxypropane diol acetal
FL/FR
vanillyl butyl ether
FL/FR
vetiveryl acetate
FL/FR
acidic
acidic
levulinic acid
FL/FR
aldehydic
acetyl nonyryl
FL/FR
amber
iso
butyl benzyl carbinol
FL/FR
anisic
para-
acetanisole
FL/FR
ortho-
anisaldehyde
FL/FR
ortho-
methyl acetophenone
FL/FR
balsamic
benzoin absolute replacer
FL/FR
sumatra
benzoin gum
FL/FR
siam
benzoin resin
FL/FR
sumatra
benzoin resin
FL/FR
sumatra
benzoin resinoid
FL/FR
siam
benzoin resinoid
FL/FR
ethyl cinnamate
FL/FR
peru balsam absolute
FL/FR
peru balsam oil
FL/FR
peru balsam resinoid
FL/FR
vanillylidene acetone
FL/FR
berry
raspberry ketone methyl ether
FL/FR
brown
2-oxo
butyric acid
FL/FR
buttery
butyl laevo-lactate
FL/FR
caramellic
strawberry furanone acetate
FL/FR
cherry
heliotropin
FL/FR
para-
methoxycinnamaldehyde
FL/FR
chocolate
cocoa oleoresin
FL/FR
citrus
tetrahydrogeranyl acetone
FL/FR
coconut
delta-
decalactone
FL/FR
octahydrocoumarin
FL/FR
coumarinic
phthalide
FL/FR
creamy
acetoin
FL/FR
acetyl butyryl
FL/FR
acetyl isobutyryl
FL/FR
6-
amyl-alpha-pyrone
FL/FR
alpha-
angelica lactone
FL/FR
para-
anisaldehyde
FL/FR
butyl butyryl lactate
FL/FR
creamy lactone
FL/FR
ethyl vanillate
FL/FR
4-
hydroxybenzaldehyde
FL/FR
para-
methyl acetophenone
FL/FR
mint lactone
FL/FR
delta-
nonalactone
FL/FR
octyl isobutyrate
FL/FR
delta-
undecalactone
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
para-
vanillic acid
FL/FR
para-
vanillyl alcohol
FL/FR
veratraldehyde
FL/FR
dairy
butyl lactate
FL/FR
methyl (Z)-5-octenoate
FL/FR
earthy
1-
nonen-3-ol
FL/FR
fatty
(Z)-
dairy lactone
FL/FR
ethyl undecylenate
FL/FR
4-
methyl octanoic acid
FL/FR
floral
cocoa pentenal
FL/FR
geranyl phenyl acetate
FL/FR
alpha-iso
methyl ionone (50% min.)
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
orris rhizome resinoid (iris pallida)
FL/FR
rhodinol
FL/FR
fruity
acetoin acetate
FL/FR
acetyl methyl anthranilate
FL/FR
para-
anisyl acetate
FL/FR
para-
anisyl alcohol
FL/FR
iso
butyl benzoate
FL/FR
cherry oxyacetate
FL/FR
gamma-
decalactone
FL/FR
dimethyl anthranilate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
alpha-
methyl ionone
FL/FR
tolualdehydes (mixed o,m,p)
FL/FR
vanilla carboxylate
FL/FR
green
cinnamyl alcohol
FL/FR
cocoa butenal
FL/FR
(Z)-4-
hepten-1-ol
FL/FR
(Z)-4-
heptenal
FL/FR
(Z)-4-
heptenal diethyl acetal
FL/FR
para-
methyl hydratropaldehyde
FL/FR
phenoxyethyl isobutyrate
FL/FR
honey
iso
propyl phenyl acetate
FL/FR
lactonic
gamma-
octalactone
FL/FR
milky
gamma-
butyrolactone
FL/FR
mushroom
3-
octen-2-ol
FL/FR
musk
ethylene brassylate
FL/FR
dextro,laevo-
muscone
FL/FR
musty
2,3,5-
trimethyl pyrazine
FL/FR
naphthyl
2,4-
dimethyl benzaldehyde
FL/FR
para-
methyl anisole
FL/FR
nutty
methyl benzoxole
FL/FR
nutty cyclohexenone
FL/FR
2,3,5,6-
tetramethyl pyrazine
FL/FR
powdery
ortho-
acetanisole
FL/FR
acetophenone
FL/FR
beta-
naphthyl ethyl ether
FL/FR
rummy
vanillyl ethyl ether
FL/FR
sour
butyric acid
FL/FR
spicy
para-
anisyl formate
FL/FR
sumatra
benzoin absolute
FL/FR
siam
benzoin absolute
FL/FR
spicy acetoacetate
FL/FR
zingerone
FL/FR
sweet
cyclohexyl acetic acid
FL/FR
vanilla bean absolute (vanilla spp.)
FL/FR
vanilla oleoresin bali
FL/FR
vanilla oleoresin bourbon
FL/FR
vanilla resinoid
FL/FR
vanilla tahitensis fruit extract
FL/FR
toasted
acetyl propionyl
FL/FR
tomato
methional
FL/FR
tropical
curcuma amada roxb. rhizome oil CO2 extract
FL/FR
vanilla
acetovanillone
FL/FR
ethyl vanillin
FL/FR
ethyl vanillin isobutyrate
FL/FR
ethyl vanillin propylene glycol acetal
FL/FR
4-
methyl guaiacol
FL/FR
omega-
pentadecalactone
FL/FR
propenyl guaethol
FL/FR
vanilla aromatica fruit extract
FL/FR
vanilla bean absolute (vanilla planifolia)
FL/FR
vanilla bean absolute CO2 extract (vanilla planifolia)
FL/FR
vanilla bean oil (vanilla tahitensis)
FL/FR
vanilla bean oil CO2 extract
FL/FR
vanilla extract
FL/FR
vanilla planifolia fruit extract
FL/FR
vanilla planifolia fruit water
FL/FR
vanillin
FL/FR
vanillin 2,3-butylene glycol acetal
FL/FR
vanillin propylene glycol acetal
FL/FR
vanillyl acetate
FL/FR
vanillyl isobutyrate
FL/FR
waxy
allyl nonanoate
FL/FR
para-
cresyl laurate
FL/FR
ethyl palmitate
FL/FR
methyl laurate
FL/FR
2-
nonanol
FL/FR
octyl butyrate
FL/FR
rhodinyl phenyl acetate
FL/FR
delta-
tetradecalactone
FL/FR
undecanoic acid
FL/FR
woody
4-
ethyl guaiacol
FL/FR
ortho-
guaiacol
FL/FR
guaiacwood oil
FL/FR
guaiacyl acetate
FL/FR
(E)-beta-
ionone
FL/FR
alpha-
irone
FL/FR
methyl ionyl acetate
FL/FR
 
Potential Uses:
FRvanilla
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2-(3'-methoxy-4'-hydroxyphenyl)-4,4,6-trimethyl-1,3-dioxane
2-methoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)phenol
 phenol, 2-methoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)-
 

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